SCHEMBL174910

SCHEMBL174910

CCCn1ccccc1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PSMB1 P20618 2/20 0.46
TSHR P16473 1/20 0.41
DRD2 P14416 2/20 0.40
GRM2 Q14416 1/20 0.39
PLD1 Q13393 1/20 0.38
PSMB5 P28074 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6727933 0.88 L3MBTL1 (0.47) NPC1MITFLMNATP53RAB9A
SCHEMBL9752595 0.86 L3MBTL1 (0.55) NPC1MITFLMNATP53RAB9A
SCHEMBL2495415 0.86 TP53 (0.45) NPC1MITFLMNATP53RAB9A
SCHEMBL10764271 0.84 ALDH1A1 (0.47) NPC1MITFLMNATP53RAB9A
SCHEMBL12096492 0.84 ALDH1A1 (0.47) NPC1MITFLMNATP53RAB9A
SCHEMBL11613395 0.84 ALDH1A1 (0.47) NPC1MITFLMNATP53RAB9A
SCHEMBL8778695 0.84 ALDH1A1 (0.47) NPC1MITFLMNATP53RAB9A
SCHEMBL10767578 0.84 ALDH1A1 (0.47) NPC1MITFLMNATP53RAB9A
Hydrochloric Acid SCHEMBL1933284 0.83 ALDH1A1 (0.46) NPC1MITFLMNATP53RAB9A
SCHEMBL9394796 0.82 L3MBTL1 (0.51) NPC1MITFLMNATP53RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-05-28 US claimed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US claimed
EP-0093498-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING N-SUBSTITUTED-3-HYDROXYPYRID-2-ONE OR -4-ONE DERIVATIVES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-11-26 EP claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-111542557-B Conjugated diene rubber 日本瑞翁株式会社 2023-03-28 CN disclosed
CN-111868098-B Method for producing conjugated diene rubber 日本瑞翁株式会社 2022-12-23 CN disclosed
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-11-15 US disclosed
CN-115348975-A Conjugated diene polymer, method for producing conjugated diene polymer, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2022-11-15 CN disclosed
CN-110072861-B Disubstituted pyrazoles for the treatment of diseases FGH生物科技公司 2022-11-11 CN disclosed
CN-114933676-A Polyfunctional vinyl aromatic copolymer and process for producing the same, conjugated diene copolymer and composition thereof, crosslinked product, and tire member 日铁化学材料株式会社 2022-08-23 CN disclosed
US-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-05-24 US disclosed
EP-1249443-A2 Process for the production of hydroxybenzoic acid benzyl esters BAYER AG (DE) 2002-10-16 EP disclosed
US-5245046-A α-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1993-09-14 US disclosed
WO-1991009848-A1 PYRIDINONES USEFUL AS ANTIATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP disclosed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO disclosed
US-4361436-A Composition for plant growth regulation GAF CORPORATION (US) 1982-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 NPC1 74/4885MITF 1643/4885LMNA 1555/4885
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 NPC1 74/4885MITF 1643/4885LMNA 1555/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC NPC1 620/4885MITF 1341/4885LMNA 999/4885
US-20150148363-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC NPC1 620/4885MITF 1341/4885LMNA 999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.